N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine

C15H18FN — CID 164935784

IUPACN-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc2c(F)cccc12
InChIInChI=1S/C15H18FN/c1-15(2,3)17-10-11-6-4-8-13-12(11)7-5-9-14(13)16/h4-9,17H,10H2,1-3H3
InChIKeyIJKOGRPSZXXPNE-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.87
Rot. Bonds2

About N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine

N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine (PubChem CID 164935784) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
PubChem CID164935784
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC NameN-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc2c(F)cccc12
InChIInChI=1S/C15H18FN/c1-15(2,3)17-10-11-6-4-8-13-12(11)7-5-9-14(13)16/h4-9,17H,10H2,1-3H3
InChIKeyIJKOGRPSZXXPNE-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
CID 112610729
N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955206
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955221
N-[[2-(2-butoxyethoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955145
4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
CID 115955151
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
CID 115955247
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 115955214
N-[[3-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 115955154

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine (CID 164935784) is N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc2c(F)cccc12.
What is the InChIKey of N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is IJKOGRPSZXXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-15(2,3)17-10-11-6-4-8-13-12(11)7-5-9-14(13)16/h4-9,17H,10H2,1-3H3.
What are the key properties of N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine?
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 164935784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).